Ethyl 2-(phenylcarbonothioylthio)propionate

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Molecular Formula:

C12H14O2S2

Molecular Weight:

254.37

CAS Number:

412015-83-9

Catalog Number:

412015-83-9

Product Information

Molecular Formula:

C12H14O2S2

Molecular Weight:

254.37

Description

RAFT agent for controlled radical polymerization; especially suited for methacrylates and methacrylamides; Chain Transfer Agent (CTA)

Synonyms

2-[(Phenylthioxomethyl)thio]propanoic acid ethyl ester,Ethyl 2-(phenylcarbonothioylthio)propanoate

IUPAC Name

ethyl 2-(benzenecarbonothioylsulfanyl)propanoate

Canonical SMILES

CCOC(=O)C(C)SC(=S)C1=CC=CC=C1

InChI

InChI=1S/C12H14O2S2/c1-3-14-11(13)9(2)16-12(15)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3

InChI Key

NXWVPIWRMPQYEX-UHFFFAOYSA-N

Flash Point

>230 °F

Purity

97% (HPLC)

Appearance

solid or liquid

Storage

2-8°C

Refractive Index

n20/D 1.611

Computed Properties

XLogP3

3.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

254.04352203 g/mol

Monoisotopic Mass

254.04352203 g/mol

Topological Polar Surface Area

83.7Å²

Heavy Atom Count

Formal Charge

Complexity

247

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Ethyl 2-(phenylcarbonothioylthio)propionate

Product Information

Computed Properties

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